4-chloro-3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-chloro-3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
4-chloro-3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | D664-0089 |
| Compound Name: | 4-chloro-3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 345.78 |
| Molecular Formula: | C17 H16 Cl N3 O3 |
| Smiles: | CN1C(N(C)c2cc(CNc3cc(ccc3[Cl])C(O)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1775 |
| logD: | 0.437 |
| logSw: | -3.418 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.868 |
| InChI Key: | YRCPZUNLDGNAPS-UHFFFAOYSA-N |